SCHEMBL2542201

SCHEMBL2542201

[CH2]Oc1cccc(OC(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 1/20 0.46
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
MAPT P10636 3/20 0.41
NPSR1 Q6W5P4 3/20 0.41
RAB9A P51151 2/20 0.41
LMNA P02545 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
TAS2R14 Q9NYV8 1/20 0.41
GRM4 Q14833 2/20 0.40
MEP1B Q16820 1/20 0.40
ATM Q13315 1/20 0.39
DAO P14920 1/20 0.39
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
POLB P06746 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11686486 0.78 RXRA (0.46) KMT2AMEN1NPSR1RAB9ALMNA
SCHEMBL2496416 0.78 ACHE (0.50) DRD1MAPTLMNATSHRMAPK1
SCHEMBL1196373 0.78 DRD1 (0.46) DRD1KMT2AMEN1MAPTNPSR1
SCHEMBL13647240 0.78 DRD1 (0.46) DRD1KMT2AMEN1MAPTNPSR1
SCHEMBL1331050 0.77 DRD1 (0.45) DRD1KMT2AMEN1MAPTNPSR1
SCHEMBL2536969 0.77 DRD1 (0.47) DRD1KMT2AMEN1MAPTRAB9A
SCHEMBL16294967 0.76 PPARG (0.53) DRD1KMT2AMEN1MAPTNPSR1
SCHEMBL20641757 0.75 MEN1 (0.46) DRD1KMT2AMEN1MAPTNPSR1
SCHEMBL23678581 0.74 DRD1 (0.46) DRD1KMT2AMEN1MAPTNPSR1
SCHEMBL2643752 0.74 DRD1 (0.50) DRD1KMT2AMEN1MAPTNPSR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016087593-A1 NOVEL FUNGICIDAL QUINOLINYLAMIDINES SYNGENTA PARTICIPATIONS AG (CH) 2016-06-09 WO disclosed
US-8426631-B2 Fungicidal compounds, method for the production thereof, and use thereof to combat damaging fungi, and agents comprising the same BASF SE (DE) 2013-04-23 US disclosed
US-8044070-B2 Heteroaryloxy nitrogenous saturated heterocyclic derivative MSD K.K. (JP) 2011-10-25 US disclosed
US-20100304966-A1 Fungicidal Compounds, Method For the Production Thereof, And Use Thereof To Combat Damaging Fungi, And Agents Comprising The Same BASF SE (DE) 2010-12-02 US disclosed
US-20100210637-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE MSD K.K. (JP) 2010-08-19 US disclosed
US-7595316-B2 Heteroaryloxy nitrogenous saturated heterocyclic derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-09-29 US disclosed
US-20060178375-A1 Heteroaryloxy nitrogenous saturated heterocyclic derivative MSD K.K. (JP) 2006-08-10 US disclosed
EP-1642898-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-04-05 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060178375-A1 Heteroaryloxy nitrogenous saturated heterocyclic derivative HRH3, HRH4, HCRTR2 DRD1 353/4885KMT2A 423/4885MEN1 1981/4885
US-20100210637-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE HRH3, HRH4, HRH2 DRD1 357/4885KMT2A 552/4885MEN1 1602/4885
US-20100304966-A1 Fungicidal Compounds, Method For the Production Thereof, And Use Thereof To Combat Damaging Fungi, And Agents Comprising The Same CYP51A1, ERG28, CAT DRD1 2138/4885KMT2A 2712/4885MEN1 1227/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.